3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide

C20H19FN2O3S — CID 50759890

IUPAC3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2C1=C1CCCC1
InChIInChI=1S/C20H19FN2O3S/c21-15-7-5-13(6-8-15)12-22-27(25,26)16-9-10-18-17(11-16)19(20(24)23-18)14-3-1-2-4-14/h5-11,22H,1-4,12H2,(H,23,24)
InChIKeyXWCXBOKCVJGLRL-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.58
Rot. Bonds4

About 3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide

3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 50759890) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide
PubChem CID50759890
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2C1=C1CCCC1
InChIInChI=1S/C20H19FN2O3S/c21-15-7-5-13(6-8-15)12-22-27(25,26)16-9-10-18-17(11-16)19(20(24)23-18)14-3-1-2-4-14/h5-11,22H,1-4,12H2,(H,23,24)
InChIKeyXWCXBOKCVJGLRL-UHFFFAOYSA-N
XLogP3.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide
CID 50760112
3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 50759991
2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
CID 59763032
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886481
3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one
CID 50759969
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
3-amino-4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 115328602
3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 63239212

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of 3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide (CID 50759890) is 3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for 3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2C1=C1CCCC1.
What is the InChIKey of 3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is XWCXBOKCVJGLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c21-15-7-5-13(6-8-15)12-22-27(25,26)16-9-10-18-17(11-16)19(20(24)23-18)14-3-1-2-4-14/h5-11,22H,1-4,12H2,(H,23,24).
What are the key properties of 3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide?
3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 386.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 50759890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).